Information card for entry 7013714

Structure parameters

• Chemical name: 3-(4-butylpiperazin-1-yl)-propylammonium-perchlorate
• Formula: C10 H25 Cl N4 O4
• Calculated formula: C10 H25 Cl N4 O4
• SMILES: [NH3+]CCCN1CCN(CC1)CCCN.Cl(=O)(=O)(=O)[O-]
• Title of publication: The influence of the boat-to-chair conversion on the demetallation of the nickel(II) complex of an open-chain tetramine containing a piperazine fragment.
• Authors of publication: Boiocchi, Massimo; Bonizzoni, Marco; Fabbrizzi, Luigi; Foti, Francesco; Licchelli, Maurizio; Taglietti, Angelo; Zema, Michele
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2004
• Journal issue: 4
• Pages of publication: 653 - 658
• a: 8.1268 ± 0.0004 Å
• b: 12.7796 ± 0.0006 Å
• c: 14.7831 ± 0.0007 Å
• α: 90°
• β: 104.361 ± 0.001°
• γ: 90°
• Cell volume: 1487.36 ± 0.12 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0542
• Residual factor for significantly intense reflections: 0.0437
• Weighted residual factors for significantly intense reflections: 0.1223
• Weighted residual factors for all reflections included in the refinement: 0.1314
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No